Compound Identification
SMILES
[O-][N+](=O)C1=CC(=C(NN=CC2=CN(CC3=CC=CC=C3)C=C(C2)C#N)C=C1)[N+]([O-])=O
InChIKey
InChIKey=SUTQTSCDRKPVQC-UHFFFAOYSA-N
Formula
C20H16N6O4
Mass
404.386
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Nitrobenzenes
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Nitrobenzenes
Intermediate Tree Nodes
Not available
Direct Parent
Nitrobenzenes
Alternative Parents
Benzylamines Nitroaromatic compounds Phenylmethylamines Phenylhydrazines Aralkylamines Dihydropyridines Trialkylamines Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Nitriles Hydrazones Enamines Allylamines Azacyclic compounds Organic oxides Hydrocarbon derivatives Organic salts Organic zwitterions
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzene - Benzylamine - Nitroaromatic compound - Phenylhydrazine - Phenylmethylamine - Dihydropyridine - Aralkylamine - Hydropyridine - C-nitro compound - Tertiary amine - Tertiary aliphatic amine - Organic nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Azacycle - Organoheterocyclic compound - Enamine - Hydrazone - Allylamine - Carbonitrile - Organic oxoazanium - Nitrile - Organic oxygen compound - Amine - Organic oxide - Organonitrogen compound - Cyanide - Hydrocarbon derivative - Organic salt - Organic nitrogen compound - Organic zwitterion - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro group.
External Descriptors
Not available